Compound Detail
CHEMBL412073
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O=C(O)C1(C(=O)O)C23c4c5c6c7c8c4-c4c2c2c9c%10c%11c%12c(c-5c5c%13c%14c%15c%16c%17c(c-7c7c%18c%19c%20c%21c(c4C%204C(C(=O)O)(C(=O)O)C874)c2c2c9c4c%11c7c(c%13%12)c%14c8c%16c9c(c%18%17)c%19c%11c%21c2c2c4c7c8c9c%112)C%152C(C(=O)O)(C(=O)O)C652)C%1013
Basic Information
| ChEMBL ID | CHEMBL412073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REBFNSXLKVXRSF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1026.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory activity against beta-lactamase | 11931626 |
| Chymotrypsin-C | IC50 | = | 60000.0 | nM | 4.22 | Inhibitory activity against chymotrypsinogen | 11931626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931626 | 10.1021/jm010533y | Beta-lactamase | 3 |
| 11931626 | 10.1021/jm010533y | Chymotrypsin-C | 1 |
Data from ChEMBL 36 via Core Engine